4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine

C15H27N3S — CID 55117851

IUPAC4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCCCC2C)sc1CNC
InChIInChI=1S/C15H27N3S/c1-5-12-14(10-16-3)19-15(17-12)18(4)13-9-7-6-8-11(13)2/h11,13,16H,5-10H2,1-4H3
InChIKeyNWQHFEHBBGNMEW-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.44
Rot. Bonds5

About 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 55117851) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID55117851
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCCCC2C)sc1CNC
InChIInChI=1S/C15H27N3S/c1-5-12-14(10-16-3)19-15(17-12)18(4)13-9-7-6-8-11(13)2/h11,13,16H,5-10H2,1-4H3
InChIKeyNWQHFEHBBGNMEW-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine (CID 55117851) is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine is CCc1nc(N(C)C2CCCCC2C)sc1CNC.
What is the InChIKey of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is NWQHFEHBBGNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12-14(10-16-3)19-15(17-12)18(4)13-9-7-6-8-11(13)2/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).